The Wannier functions are a complete set of orthogonal functions used in solid-state physics. They were introduced by Gregory Wannier in 1937. Wannier functions are the localized molecular orbitals of crystalline systems.
The λ (lambda) universality class is a group in condensed matter physics. It regroups several systems possessing strong analogies, namely, superfluids, superconductors and smectics. All these systems are expected to belong to the same universality class for the thermodynamic critical properties of the phase transition. While these systems are quite different at the first glance, they all are described by similar formalisms and their typical phase diagrams are identical.
Octopus is a software package for performing Kohn–Sham density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations.
Atomistix Virtual NanoLab (VNL) is a commercial point-and-click software for simulation and analysis of physical and chemical properties of nanoscale devices. Virtual NanoLab is developed and sold commercially by QuantumWise A/S. QuantumWise was then acquired by Synopsys in 2017.
Jozef T. Devreese was a Belgian scientist, with a long career in condensed matter physics. He was professor emeritus of theoretical physics at the University of Antwerp. He died on November 1, 2023.
Atomistix A/S was a software company developing tools for atomic scale modelling. It was headquartered in Copenhagen, Denmark, with a subsidiary for Asia Pacific in Singapore and for the Americas in California. In September 2008 Atomistix A/S went bankrupt, but in December 2008 the newly founded company QuantumWise announced that they had acquired all assets from the Atomistix estate and would continue the development and marketing of the products Atomistix ToolKit and Atomistix Virtual NanoLab. QuantumWise was then acquired by Synopsys in 2017.
Marvin Lou Cohen is an American–Canadian theoretical physicist. He is a physics professor at the University of California, Berkeley. Cohen is a leading expert in the field of condensed matter physics. He is widely known for his seminal work on the electronic structure of solids.
Volker Heine FRS is a New Zealand / British physicist. He is married to Daphne and they have three children. Volker Heine is considered a pioneer of theoretical and computational studies of the electronic structure of solids and liquids and the determination of physical properties derived from it.
In density functional theory (DFT), the Harris energy functional is a non-self-consistent approximation to the Kohn–Sham density functional theory. It gives the energy of a combined system as a function of the electronic densities of the isolated parts. The energy of the Harris functional varies much less than the energy of the Kohn–Sham functional as the density moves away from the converged density.
Xiao-Gang Wen is a Chinese-American physicist. He is a Cecil and Ida Green Professor of Physics at the Massachusetts Institute of Technology and Distinguished Visiting Research Chair at the Perimeter Institute for Theoretical Physics. His expertise is in condensed matter theory in strongly correlated electronic systems. In Oct. 2016, he was awarded the Oliver E. Buckley Condensed Matter Prize.
In materials science, the threshold displacement energy is the minimum kinetic energy that an atom in a solid needs to be permanently displaced from its site in the lattice to a defect position. It is also known as "displacement threshold energy" or just "displacement energy". In a crystal, a separate threshold displacement energy exists for each crystallographic direction. Then one should distinguish between the minimum and average over all lattice directions' threshold displacement energies. In amorphous solids, it may be possible to define an effective displacement energy to describe some other average quantity of interest. Threshold displacement energies in typical solids are of the order of 10-50 eV.
Daniel L. Stein is an American physicist and Professor of Physics and Mathematics at New York University. From 2006 to 2012 he served as the NYU Dean of Science.
David R. Nelson is an American physicist, and Arthur K. Solomon Professor of Biophysics, at Harvard University.
Eric R. Weeks is an American physicist. He completed his B.Sc. at the University of Illinois at Urbana–Champaign in 1992. He obtained a Ph.D. in physics from the University of Texas at Austin in 1997, working under Harry Swinney, and later completed post-doctoral research with David Weitz and Arjun Yodh at Harvard University and the University of Pennsylvania. He is currently a full professor at Emory University in Atlanta, Georgia.
For typical three-dimensional metals, the temperature-dependence of the electrical resistivity ρ(T) due to the scattering of electrons by acoustic phonons changes from a high-temperature regime in which ρ ∝ T to a low-temperature regime in which ρ ∝ T5 at a characteristic temperature known as the Debye temperature. For low density electron systems, however, the Fermi surface can be substantially smaller than the size of the Brillouin zone, and only a small fraction of acoustic phonons can scatter off electrons. This results in a new characteristic temperature known as the Bloch–Grüneisen temperature that is lower than the Debye temperature. The Bloch–Grüneisen temperature is defined as 2ħvskF/kB, where ħ is the Planck constant, vs is the velocity of sound, ħkF is the Fermi momentum, and kB is the Boltzmann constant.
Symmetry-protected topological (SPT) order is a kind of order in zero-temperature quantum-mechanical states of matter that have a symmetry and a finite energy gap.
Interatomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties. Examples of quantitative properties and qualitative phenomena that are explored with interatomic potentials include lattice parameters, surface energies, interfacial energies, adsorption, cohesion, thermal expansion, and elastic and plastic material behavior, as well as chemical reactions.
Fullerides are chemical compounds containing fullerene anions. Common fullerides are derivatives of the most common fullerenes, i.e. C60 and C70. The scope of the area is large because multiple charges are possible, i.e., [C60]n− (n = 1, 2...6), and all fullerenes can be converted to fullerides. The suffix "-ide" implies their negatively charged nature.
Rubidium sesquioxide is a chemical compound with the formula Rb2O3 or more accurately Rb4O6. In terms of oxidation states, Rubidium in this compound has a nominal charge of +1, and the oxygen is a mixed peroxide and superoxide for a structural formula of (Rb+)4(O−2)2(O2−2). It has been studied theoretically as an example of a strongly correlated material.
Caesium sesquioxide is a chemical compound with the formula Cs2O3 or more accurately Cs4O6. It is an oxide of caesium containing oxygen in different oxidation states. It consists of caesium cations Cs+, superoxide anions O−2 and peroxide anions O2−2. Caesium in this compound has an oxidation state of +1, while oxygen in superoxide has an oxidation state of −1/2 and oxygen in peroxide has an oxidation state of −1. This compound has a structural formula of (Cs+)4(O−2)2(O2−2). Compared to the other caesium oxides, this phase is less well studied, but has been long present in the literature. It can be created by thermal decomposition of caesium superoxide at 290 °C.
